Geometry & MOs

Info

ID:	282961
PubChem CID:	103948537
Reduced:	SN2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	47.08
Dipole, Da:	2.35
IP(EA), eV:	-8.48(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)-phenylmethyl]pent-4-yn-1-amine

Drug info:

PubChemData

Smile

CSC1CCCC1NC(C2=CC=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations