Geometry & MOs

Info

ID:	437264
PubChem CID:	135220394
Reduced:	OSN4C32H34 (1)
Stoich.:	ABC4D32E34 (1)
Weight, g/mol:	437.253923
ΔH_f, kcal/mol:	90.49
Dipole, Da:	3.89
IP(EA), eV:	-8.14(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-4-[4-(3-hydroxypiperidin-1-yl)anilino]-6-methanimidoylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C/C=C(\C=C/C=C)/C(=C)/C=C\N=C(C)NC1=C(C=CC(=C1)NC(=O)C2=C(SC(=N2)C)C3=CC=C(C=C3)C)C

DOS

IR

Vibrations