Geometry & MOs

Info

ID:	75397
PubChem CID:	48423421
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	304.145678
ΔH_f, kcal/mol:	-55.26
Dipole, Da:	2.29
IP(EA), eV:	-8.52(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)CN(C)C)OCC2CC2

DOS

IR

Vibrations