Geometry & MOs

Info

ID:	372302
PubChem CID:	131295987
Reduced:	N2O3C9H14 (1)
Stoich.:	A2B3C9D14 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-116.02
Dipole, Da:	3.61
IP(EA), eV:	-9.95(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-2-(4-hydroxyphenyl)-5-methyl-1H-pyrrol-3-ol

Drug info:

PubChemData

Smile

COC(=O)N1CCC(CC1)C(C#N)O

DOS

IR

Vibrations