Geometry & MOs

Info

ID:	350206
PubChem CID:	127277284
Reduced:	O3N4C18H34 (1)
Stoich.:	A3B4C18D34 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	-168.07
Dipole, Da:	3.86
IP(EA), eV:	-8.68(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)NCC(C)(C)N2CCOCC2

DOS

IR

Vibrations