Geometry & MOs

Info

ID:	422366
PubChem CID:	135117699
Reduced:	N2O2C17H26 (1)
Stoich.:	A2B2C17D26 (1)
Weight, g/mol:	643.311832
ΔH_f, kcal/mol:	-76.12
Dipole, Da:	7.85
IP(EA), eV:	-8.7(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-3-methyl-7-(3-methyl-4-oxophthalazine-1-carbonyl)-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

CC1(C(CCN1C)CN(C)CC2=CC=C(C=C2)C(=O)O)C

DOS

IR

Vibrations