Geometry & MOs

Info

ID:	422912
PubChem CID:	135118604
Reduced:	NO4C19H29 (1)
Stoich.:	AB4C19D29 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-186.3
Dipole, Da:	6.16
IP(EA), eV:	-8.64(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[2-(2-methoxy-4-methylphenoxy)ethyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)CCOC2=C(C=C(C=C2)C)C)C(=O)O

DOS

IR

Vibrations