Geometry & MOs

Info

ID:	349049
PubChem CID:	127274775
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	399.209282
ΔH_f, kcal/mol:	41.38
Dipole, Da:	8.17
IP(EA), eV:	-10.07(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCCCC2)NC(=O)C3=CC=C(C=C3)N4C=NN=C4

DOS

IR

Vibrations