Geometry & MOs

Info

ID:	73598
PubChem CID:	48418484
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	386.150954
ΔH_f, kcal/mol:	-19.39
Dipole, Da:	1.57
IP(EA), eV:	-8.8(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepan-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NNC(=O)CN(C)C2=CC=CC=C2

DOS

IR

Vibrations