Geometry & MOs

Info

ID:	157037
PubChem CID:	56413044
Reduced:	ClFSN2O2C21H26 (1)
Stoich.:	ABCD2E2F21G26 (1)
Weight, g/mol:	436.260504
ΔH_f, kcal/mol:	-120.13
Dipole, Da:	2.89
IP(EA), eV:	-8.99(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

DOS

IR

Vibrations