Geometry & MOs

Info

ID:	429339
PubChem CID:	135169308
Reduced:	SO5N11C33H45 (1)
Stoich.:	AB5C11D33E45 (1)
Weight, g/mol:	197.21435
ΔH_f, kcal/mol:	-136.79
Dipole, Da:	9.34
IP(EA), eV:	-9.24(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1,3-di(propan-2-yl)piperidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2)NC(=O)[C@H](CCC(=O)N)NC(=O)CCCCN=C(N)N

DOS

IR

Vibrations