Geometry & MOs

Info

ID:	302164
PubChem CID:	124349872
Reduced:	SN2O3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	400.283826
ΔH_f, kcal/mol:	-47.81
Dipole, Da:	0.33
IP(EA), eV:	-8.48(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NO[C@@H](C2)CNC(=O)CC3=CC=C(C=C3)SC

DOS

IR

Vibrations