Geometry & MOs

Info

ID:	350191
PubChem CID:	127277269
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	26.64
Dipole, Da:	4.96
IP(EA), eV:	-8.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N(CC2CC2)C3CCCCC3)C4=CC=CC=N4

DOS

IR

Vibrations