Geometry & MOs

Info

ID:	419627
PubChem CID:	135108562
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-68.45
Dipole, Da:	2.55
IP(EA), eV:	-8.57(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)(C3=CC=CC=C3)O

DOS

IR

Vibrations