Geometry & MOs

Info

ID:	343426
PubChem CID:	127266599
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-0.88
Dipole, Da:	5.53
IP(EA), eV:	-8.73(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-anilino-N-(1-cyanobutan-2-yl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=CC(=C2)CNC(=O)C3(CC3)NC4=CC=CC=C4

DOS

IR

Vibrations