Geometry & MOs

Info

ID:	146255
PubChem CID:	53659389
Reduced:	FO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	561.295119
ΔH_f, kcal/mol:	-150.19
Dipole, Da:	4.82
IP(EA), eV:	-8.87(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-1-[(2S)-2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C(=CC(=CC=CC(=CC(=O)O)C)C)F)C)C)OC

DOS

IR

Vibrations