Geometry & MOs

Info

ID:	147343
PubChem CID:	53786999
Reduced:	N3O4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	-73.41
Dipole, Da:	7.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755765
Charge, e:	0

Chem-info

IUPAC name:

10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-one

Drug info:

PubChemData

Smile

CC(=[N+](C)C)NC1=CC=C(C=C1)N(C(=O)C)OC2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations