Geometry & MOs

Info

ID:	170037
PubChem CID:	75185782
Reduced:	N3O7C31H39 (1)
Stoich.:	A3B7C31D39 (1)
Weight, g/mol:	459.252192
ΔH_f, kcal/mol:	-270.58
Dipole, Da:	1.95
IP(EA), eV:	-8.22(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1-[(3-methylphenyl)methyl]-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3CCCCC3N(C2=O)CC(=O)OCC4=CC=CC=C4)OC

DOS

IR

Vibrations