Geometry & MOs

Info

ID:	67498
PubChem CID:	46506587
Reduced:	N3O4C32H33 (1)
Stoich.:	A3B4C32D33 (1)
Weight, g/mol:	477.241627
ΔH_f, kcal/mol:	-82.39
Dipole, Da:	10.06
IP(EA), eV:	-7.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-4-(4-propan-2-ylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC3=CC4=C5C(=C3OC2=NC6=C(C=C(C=C6)OC)OC)CCCN5CCC4

DOS

IR

Vibrations