Geometry & MOs

Info

ID:	435855
PubChem CID:	135192574
Reduced:	FN7O13C59H72 (1)
Stoich.:	AB7C13D59E72 (1)
Weight, g/mol:	185.141579
ΔH_f, kcal/mol:	-542.35
Dipole, Da:	14.08
IP(EA), eV:	-9.22(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-N,3-dimethyl-N-propylbut-2-enamide

Drug info:

Smile

CC[C@@]1(C2/C=C/3\CC(CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C34)NC(=O)COCCCCC(=O)CNC(=O)C(CC7=CC=CC=C7)NC(CNC(=O)CNC(=O)CCCCCN8C(=O)C=CC8=O)O)C(C(=O)C2COC1=O)C)O

DOS

IR

Vibrations