Geometry & MOs

Info

ID:	255372
PubChem CID:	103131631
Reduced:	NC4H5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	263.118925
ΔH_f, kcal/mol:	53.49
Dipole, Da:	4.57
IP(EA), eV:	-8.89(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-chloro-2-(1-methylpyrazol-3-yl)phenyl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN)C2=NN(C=C2)C

DOS

IR

Vibrations