Geometry & MOs

Info

ID:	76098
PubChem CID:	48424425
Reduced:	N3O5C21H31 (1)
Stoich.:	A3B5C21D31 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-228.99
Dipole, Da:	3.59
IP(EA), eV:	-9.34(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(cyclopropylmethoxy)propanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations