Geometry & MOs

Info

ID:	218409
PubChem CID:	85089402
Reduced:	ON5C29H35 (1)
Stoich.:	AB5C29D35 (1)
Weight, g/mol:	463.251129
ΔH_f, kcal/mol:	25.1
Dipole, Da:	5.59
IP(EA), eV:	-7.95(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-benzyl-3-[benzyl(1-phenylethyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC2=CC3=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4)C5=NC6CCCCC6N5

DOS

IR

Vibrations