Geometry & MOs

Info

ID:	334248
PubChem CID:	127252800
Reduced:	O4N7C20H25 (1)
Stoich.:	A4B7C20D25 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-11.73
Dipole, Da:	3.54
IP(EA), eV:	-9.98(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1CN2C=NN=N2)C(=O)N3CC4CC(C3)C5=CC=C(C(=O)N5C4)[N+](=O)[O-]

DOS

IR

Vibrations