Geometry & MOs

Info

ID:	415099
PubChem CID:	135088085
Reduced:	ON6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	385.155705
ΔH_f, kcal/mol:	18.88
Dipole, Da:	7.43
IP(EA), eV:	-8.83(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-pyrrolidin-1-ylphenyl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)NCCN2C=NC=N2)C(=O)N

DOS

IR

Vibrations