Geometry & MOs

Info

ID:	416308
PubChem CID:	135089321
Reduced:	O2S2N5C14H17 (1)
Stoich.:	A2B2C5D14E17 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	-2.17
Dipole, Da:	5.51
IP(EA), eV:	-9.04(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC(=O)CSC2=NN=C(S2)N)CC3=CC=NC=C3

DOS

IR

Vibrations