Geometry & MOs

Info

ID:	126470
PubChem CID:	50966283
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	40.8
Dipole, Da:	4.45
IP(EA), eV:	-8.91(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-aminoethyl)quinazolin-4-yl]-4-phenylpiperidin-4-ol

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=C1)CN(C)C2=NC=NC(=C2)N(C)C

DOS

IR

Vibrations