Geometry & MOs

Info

ID:	41684
PubChem CID:	8146799
Reduced:	O2N3C26H27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	363.231063
ΔH_f, kcal/mol:	-6.98
Dipole, Da:	2.24
IP(EA), eV:	-8.97(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C(=O)[C@@](NC2=O)(CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations