Geometry & MOs

Info

ID:	330532
PubChem CID:	127247939
Reduced:	O3N4C17H30 (1)
Stoich.:	A3B4C17D30 (1)
Weight, g/mol:	338.231791
ΔH_f, kcal/mol:	-157.79
Dipole, Da:	2.34
IP(EA), eV:	-9.11(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-methyl-4-(4-pyrrolidin-1-ylbutanoyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC(=O)N2CCN(CC(C2)C(=O)NC)C(=O)C

DOS

IR

Vibrations