Geometry & MOs

Info

ID:	418247
PubChem CID:	135103942
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-102.69
Dipole, Da:	6.96
IP(EA), eV:	-8.95(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylphenyl)-1-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=O)N1)CCN(CC2CCCO2)CC3=CC=CC=N3

DOS

IR

Vibrations