Geometry & MOs

Info

ID:	135076
PubChem CID:	51809920
Reduced:	N3O7C23H27 (1)
Stoich.:	A3B7C23D27 (1)
Weight, g/mol:	468.241293
ΔH_f, kcal/mol:	-176.72
Dipole, Da:	2.13
IP(EA), eV:	-8.88(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-2-oxo-1-phenanthren-9-ylethyl]-4-hydroxy-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC2=C(C=C1)OCO2)N(CCC)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

DOS

IR

Vibrations