Geometry & MOs

Info

ID:	143351
PubChem CID:	53196470
Reduced:	ON6C21H26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	33.28
Dipole, Da:	8.08
IP(EA), eV:	-8.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-(2-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2C3=C(C=N2)C(=NC=N3)N4CCCCCC4)C

DOS

IR

Vibrations