Geometry & MOs

Info

ID:	360249
PubChem CID:	127300892
Reduced:	ON6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	47.04
Dipole, Da:	5.62
IP(EA), eV:	-8.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(4-morpholin-4-ylphenyl)methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=CN4C=CC(=CC4=N3)C

DOS

IR

Vibrations