Geometry & MOs

Info

ID:	360251
PubChem CID:	127300894
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	375.263425
ΔH_f, kcal/mol:	-60.36
Dipole, Da:	3.44
IP(EA), eV:	-8.86(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[(1-propylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations