Geometry & MOs

Info

ID:	236079
PubChem CID:	92711460
Reduced:	N2O5C23H28 (1)
Stoich.:	A2B5C23D28 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-181.21
Dipole, Da:	7.26
IP(EA), eV:	-8.3(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-6,7-dimethoxy-2-[2-(3-methylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2CCC3=CC(=C(C=C3[C@H]2CC(=O)O)OC)OC)C

DOS

IR

Vibrations