Geometry & MOs

Info

ID:	187364
PubChem CID:	77564546
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	550.211073
ΔH_f, kcal/mol:	-94.94
Dipole, Da:	2.21
IP(EA), eV:	-8.37(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-imidazol-2-yl)-N-[5-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]butanamide

Drug info:

PubChemData

Smile

CCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC4=C(C=C3)OCO4)C)CN

DOS

IR

Vibrations