Geometry & MOs

Info

ID:	41805
PubChem CID:	8147132
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	363.231063
ΔH_f, kcal/mol:	-173.57
Dipole, Da:	8.55
IP(EA), eV:	-9.1(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations