Geometry & MOs

Info

ID:	204542
PubChem CID:	79978957
Reduced:	BrNC17H18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	49.29
Dipole, Da:	2.08
IP(EA), eV:	-8.16(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclopropylphenyl)methyl]-2-methoxyethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC2=CC=C(C=C2)C3CC3)Br

DOS

IR

Vibrations