Geometry & MOs

Info

ID:	197089
PubChem CID:	78920910
Reduced:	NC2H3 (5)
Stoich.:	AB2C3 (5)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	77.34
Dipole, Da:	7.76
IP(EA), eV:	-9.21(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrazol-3-yl)methyl]-4-phenylbutan-2-amine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)CNCCN2C=CN=C2

DOS

IR

Vibrations