Geometry & MOs

Info

ID:	361517
PubChem CID:	127303707
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-118.54
Dipole, Da:	1.8
IP(EA), eV:	-8.69(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(morpholin-4-ylmethyl)phenyl]-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NC(=O)C2CCN(C(=O)C2)C)N3CCOCC3

DOS

IR

Vibrations