Geometry & MOs

Info

ID:	230631
PubChem CID:	87571526
Reduced:	N9O9C53H61 (1)
Stoich.:	A9B9C53D61 (1)
Weight, g/mol:	243.183853
ΔH_f, kcal/mol:	-186.53
Dipole, Da:	6.46
IP(EA), eV:	-8.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(E)-but-2-en-2-yl]-propyl-trimethylsilylsilyl]ethanamine

Drug info:

Smile

CC1(C2=CC=C([C@]1(C(=O)NC(=O)O)N3CCCC3[C@@H]4CC[C@H](N4C5=CC=C(C=C5)C6=CN=C(C=C6)N7CCOCC7)C8CCCN8[C@]9(C1=CC=C(C9(C)CC(=O)N)C=C1)C(=O)NC(=O)O)C=C2)CC(=O)N

DOS

IR

Vibrations