Geometry & MOs

Info

ID:	375635
PubChem CID:	134214204
Reduced:	O4N5C24H27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-115.2
Dipole, Da:	8.51
IP(EA), eV:	-8.76(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S,4S)-4-ethyl-5-oxopyrrolidin-2-yl]ethoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)C2=CN=C(C3=CC(=C(C=C32)C(=O)N)OC(C)C)OCC[C@@H]4CCC(=O)N4

DOS

IR

Vibrations