Geometry & MOs

Info

ID:	368225
PubChem CID:	127327776
Reduced:	OSN4C13H22 (1)
Stoich.:	ABC4D13E22 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-11.82
Dipole, Da:	8.15
IP(EA), eV:	-9.52(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCN(CC1)C(=O)NC2=NN=CS2

DOS

IR

Vibrations