Geometry & MOs

Info

ID:	422389
PubChem CID:	135117747
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	12.95
Dipole, Da:	0.75
IP(EA), eV:	-8.28(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=C2)C(=O)N(CCN(C)C)CC3=C(NC=N3)C)C

DOS

IR

Vibrations