Geometry & MOs

Info

ID:	416598
PubChem CID:	135089798
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-118.59
Dipole, Da:	2.45
IP(EA), eV:	-9.15(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-cyclopropylpyrrol-2-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)CN3CC(CC3=O)C4=CC=CC=C4)OCC1

DOS

IR

Vibrations