Geometry & MOs

Info

ID:	255376
PubChem CID:	103131665
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	229.157898
ΔH_f, kcal/mol:	75.44
Dipole, Da:	4.28
IP(EA), eV:	-8.67(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC2CC2)C3=NN(C=C3)C

DOS

IR

Vibrations