Geometry & MOs

Info

ID:	198744
PubChem CID:	79144759
Reduced:	BrNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	28.69
Dipole, Da:	2.73
IP(EA), eV:	-8.87(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[1-(3-nitrophenyl)ethyl]-1-phenylethanamine

Drug info:

PubChemData

Smile

CC1=CC2=C(CCC2NC(C)C3=CC(=CC=C3)Br)C=C1

DOS

IR

Vibrations