Geometry & MOs

Info

ID:	76287
PubChem CID:	48424732
Reduced:	BrNO3C19H26 (1)
Stoich.:	ABC3D19E26 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-106.6
Dipole, Da:	2.95
IP(EA), eV:	-9.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(cyclopropylmethoxy)propanoyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C(=O)NCC1(CCOCC1)C2=CC(=CC=C2)Br)OCC3CC3

DOS

IR

Vibrations