Geometry & MOs

Info

ID:	320257
PubChem CID:	126659037
Reduced:	FO3N6C33H41 (1)
Stoich.:	AB3C6D33E41 (1)
Weight, g/mol:	361.19026
ΔH_f, kcal/mol:	-108.54
Dipole, Da:	4.53
IP(EA), eV:	-8.61(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R,4R)-1-methyl-4-phenylpiperidin-3-yl]amino]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)OC(=O)N1C(=O)C=CN=C1N(C)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F

DOS

IR

Vibrations