Geometry & MOs

Info

ID:	414996
PubChem CID:	135087976
Reduced:	N3O5H15C16 (1)
Stoich.:	A3B5C15D16 (1)
Weight, g/mol:	358.119654
ΔH_f, kcal/mol:	-131.49
Dipole, Da:	8.9
IP(EA), eV:	-9.56(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3-methylphenyl)-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)C(=O)N3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations