Geometry & MOs

Info

ID:	419776
PubChem CID:	135109049
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	312.206245
ΔH_f, kcal/mol:	-72.64
Dipole, Da:	4.35
IP(EA), eV:	-8.64(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1'-(1H-pyrazol-5-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)CCC3=CC=C(N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations