Geometry & MOs

Info

ID:	255375
PubChem CID:	103131647
Reduced:	FN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	241.157898
ΔH_f, kcal/mol:	5.64
Dipole, Da:	5.58
IP(EA), eV:	-8.71(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-methyl-3-(1-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC(C)NCC1=C(C=CC(=C1)C2=NN(C=C2)C)F

DOS

IR

Vibrations