Geometry & MOs

Info

ID:	419146
PubChem CID:	135107602
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	403.237211
ΔH_f, kcal/mol:	-36.43
Dipole, Da:	4.67
IP(EA), eV:	-8.73(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C4=NC=CC(=C4)C#N)OC

DOS

IR

Vibrations