Geometry & MOs

Info

ID:	132045
PubChem CID:	51298810
Reduced:	ClO2F3N4C16H16 (1)
Stoich.:	AB2C3D4E16F16 (1)
Weight, g/mol:	373.080489
ΔH_f, kcal/mol:	-157.11
Dipole, Da:	4.41
IP(EA), eV:	-9.04(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-(furan-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations