Geometry & MOs

Info

ID:	148081
PubChem CID:	53787743
Reduced:	N4O5H28C30 (1)
Stoich.:	A4B5C28D30 (1)
Weight, g/mol:	368.188863
ΔH_f, kcal/mol:	-114.99
Dipole, Da:	4.18
IP(EA), eV:	-9.23(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-benzyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)CN2C3=CC=CC=C3C(=N[C@H](C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

DOS

IR

Vibrations