Geometry & MOs

Info

ID:	198450
PubChem CID:	79102202
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	204.137497
ΔH_f, kcal/mol:	-8.42
Dipole, Da:	6.53
IP(EA), eV:	-8.57(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethanamine

Drug info:

PubChemData

Smile

CCN(C1CC1)C(=O)CN2C=CC(=C2)C(C)N

DOS

IR

Vibrations