Geometry & MOs

Info

ID:	157975
PubChem CID:	56459364
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	474.233014
ΔH_f, kcal/mol:	-148.0
Dipole, Da:	2.39
IP(EA), eV:	-8.82(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)COC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C

DOS

IR

Vibrations