Geometry & MOs

Info

ID:	350235
PubChem CID:	127277313
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	11.8
Dipole, Da:	3.11
IP(EA), eV:	-9.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC1NC(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)C

DOS

IR

Vibrations