Geometry & MOs

Info

ID:	416846
PubChem CID:	135090583
Reduced:	N2O2C15H24 (1)
Stoich.:	A2B2C15D24 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-94.38
Dipole, Da:	2.78
IP(EA), eV:	-9.65(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,2-dimethylpyrrol-3-yl)-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(C)NC(=O)CCCCCOC

DOS

IR

Vibrations