Geometry & MOs

Info

ID:	126521
PubChem CID:	50967141
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	235.114319
ΔH_f, kcal/mol:	-61.34
Dipole, Da:	2.61
IP(EA), eV:	-9.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)N2CCN3C(=NC=C3C(=O)N)C2

DOS

IR

Vibrations