Geometry & MOs

Info

ID:	138630
PubChem CID:	52398578
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-39.91
Dipole, Da:	4.42
IP(EA), eV:	-9.38(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-hydroxybutan-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](CO)N(CC1=CN=CC=C1)C(=O)C2=CC=CN2

DOS

IR

Vibrations