Geometry & MOs

Info

ID:	43454
PubChem CID:	10321322
Reduced:	ClON3C27H28 (1)
Stoich.:	ABC3D27E28 (1)
Weight, g/mol:	445.235686
ΔH_f, kcal/mol:	26.22
Dipole, Da:	4.32
IP(EA), eV:	-8.59(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[[4-(cycloheptylamino)-6-[(1-methylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]phenol

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(C=C2)NC(=O)/C=C/C3=NC=C(C=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations