Geometry & MOs

Info

ID:	234078
PubChem CID:	92297675
Reduced:	SO3N6C29H36 (1)
Stoich.:	AB3C6D29E36 (1)
Weight, g/mol:	330.161125
ΔH_f, kcal/mol:	-63.94
Dipole, Da:	3.1
IP(EA), eV:	-8.17(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-[(2R,4Z)-4-piperidin-1-yliminobutan-2-yl]quinolin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N([C@H](C2=CC=C(C=C2)N(C)C)C(=O)NC3CCCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N)C

DOS

IR

Vibrations