Geometry & MOs

Info

ID:	349984
PubChem CID:	127276789
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-75.55
Dipole, Da:	1.28
IP(EA), eV:	-9.19(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C(C=N2)CN3C(=O)C4(CCOCC4)NC3=O)C=N1

DOS

IR

Vibrations