Geometry & MOs

Info

ID:	267273
PubChem CID:	103581587
Reduced:	BrClON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	327.01379
ΔH_f, kcal/mol:	-36.81
Dipole, Da:	6.48
IP(EA), eV:	-9.17(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC(CN1CCCC1=O)NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations