Geometry & MOs

Info

ID:	352013
PubChem CID:	127282931
Reduced:	O2N4C17H30 (1)
Stoich.:	A2B4C17D30 (1)
Weight, g/mol:	275.130363
ΔH_f, kcal/mol:	-98.33
Dipole, Da:	5.8
IP(EA), eV:	-8.97(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylcyclopropyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC1NC(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3

DOS

IR

Vibrations