Geometry & MOs

Info

ID:	122791
PubChem CID:	50821678
Reduced:	O3N5C27H29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	-15.5
Dipole, Da:	3.58
IP(EA), eV:	-8.63(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CC(=NN2C(=C1)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)OC)C5=CC=C(C=C5)OC

DOS

IR

Vibrations