Geometry & MOs

Info

ID:	367412
PubChem CID:	127324568
Reduced:	O3N4C18H30 (1)
Stoich.:	A3B4C18D30 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-123.55
Dipole, Da:	3.19
IP(EA), eV:	-9.01(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpyrrolidin-3-yl)-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)N3CCC(CC3)C(=O)N4CCOCC4

DOS

IR

Vibrations