Geometry & MOs

Info

ID:	414771
PubChem CID:	135087733
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	359.199762
ΔH_f, kcal/mol:	-62.14
Dipole, Da:	4.95
IP(EA), eV:	-8.83(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(2-phenylquinazolin-4-yl)-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=CC=C1CN(CCO)CC2=CN=C(N2)C

DOS

IR

Vibrations