Geometry & MOs

Info

ID:	422862
PubChem CID:	135118532
Reduced:	N3C8H11 (2)
Stoich.:	A3B8C11 (2)
Weight, g/mol:	386.243024
ΔH_f, kcal/mol:	65.55
Dipole, Da:	2.47
IP(EA), eV:	-8.79(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(2-ethylimidazol-1-yl)propanoyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NC=N1)N2CCCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations