Geometry & MOs

Info

ID:	350378
PubChem CID:	127277456
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-124.4
Dipole, Da:	4.61
IP(EA), eV:	-8.95(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethyl-1,4-diazepan-1-yl)-(oxan-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3CN(CCO3)C

DOS

IR

Vibrations