Geometry & MOs

Info

ID:	417688
PubChem CID:	135102497
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	5.79
IP(EA), eV:	-8.5(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylpyridin-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34)N5CCOCC5

DOS

IR

Vibrations