Geometry & MOs

Info

ID:	350213
PubChem CID:	127277291
Reduced:	OSN4C16H26 (1)
Stoich.:	ABC4D16E26 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-22.57
Dipole, Da:	1.84
IP(EA), eV:	-8.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC(=O)NC2CCN(CC2)CC3CC3

DOS

IR

Vibrations