Geometry & MOs

Info

ID:	353079
PubChem CID:	127284236
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	399.136511
ΔH_f, kcal/mol:	-95.55
Dipole, Da:	7.14
IP(EA), eV:	-9.36(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-[2-oxo-2-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)OC(=C2)C(=O)N3CCN(CC3)C(=O)CCC4CCCCC4

DOS

IR

Vibrations