Geometry & MOs

Info

ID:	420159
PubChem CID:	135111514
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	322.119654
ΔH_f, kcal/mol:	-65.32
Dipole, Da:	8.61
IP(EA), eV:	-8.64(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1-methylpyrrol-2-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CC1=NC2=CC=CC=C2N1C(C)C(=O)NCCN3CCNC3=O

DOS

IR

Vibrations