Geometry & MOs

Info

ID:	44353
PubChem CID:	10503048
Reduced:	ISiO2C18H33 (1)
Stoich.:	ABC2D18E33 (1)
Weight, g/mol:	436.17467
ΔH_f, kcal/mol:	-158.25
Dipole, Da:	2.88
IP(EA), eV:	-8.84(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-7-nitro-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC1CCC(=CC(=O)CI)CC1

DOS

IR

Vibrations