Geometry & MOs

Info

ID:	419881
PubChem CID:	135109574
Reduced:	ClON4C17H27 (1)
Stoich.:	ABC4D17E27 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	-32.51
Dipole, Da:	4.44
IP(EA), eV:	-8.8(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(1-propylimidazol-2-yl)methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)NCC2(CCCCCC2)N3CCOCC3)Cl

DOS

IR

Vibrations