Geometry & MOs

Info

ID:	415861
PubChem CID:	135088863
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-41.32
Dipole, Da:	8.47
IP(EA), eV:	-8.85(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1OCCCN2C=CN=C2)[C@@H]3C[C@@H]4CC(=O)NC[C@@H]4C3

DOS

IR

Vibrations