Geometry & MOs

Info

ID:	348876
PubChem CID:	127274524
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-55.66
Dipole, Da:	3.6
IP(EA), eV:	-9.64(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylthieno[2,3-c]pyrazol-5-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CC3=C(N=C2)ON=C3C(C)C

DOS

IR

Vibrations