Geometry & MOs

Info

ID:	41806
PubChem CID:	8147134
Reduced:	ON3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	364.238888
ΔH_f, kcal/mol:	-12.05
Dipole, Da:	6.95
IP(EA), eV:	-9.15(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)[C@@H](C(C)C)NCC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations