Geometry & MOs

Info

ID:	372196
PubChem CID:	131294287
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	203.105862
ΔH_f, kcal/mol:	-21.09
Dipole, Da:	2.29
IP(EA), eV:	-8.92(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=CO1)OC2=CC=CC=C2CN

DOS

IR

Vibrations