Geometry & MOs

Info

ID:	255226
PubChem CID:	103130755
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	293.05276
ΔH_f, kcal/mol:	88.95
Dipole, Da:	2.99
IP(EA), eV:	-9.07(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C(C2=CC=CC=C2)C3=CC=CC=C3)N

DOS

IR

Vibrations