Geometry & MOs

Info

ID:	188692
PubChem CID:	77754265
Reduced:	O2C19H26 (1)
Stoich.:	A2B19C26 (1)
Weight, g/mol:	464.217203
ΔH_f, kcal/mol:	-97.49
Dipole, Da:	6.02
IP(EA), eV:	-9.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2,4-dioxo-3-[[4-phenyl-3-(tetrazolidin-5-yl)phenyl]methyl]-4a,5,6,7,8,8a-hexahydroquinazoline-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2=CC(=O)C=CC2C3C1C4CCC(C4(CC3)C)O

DOS

IR

Vibrations