Geometry & MOs

Info

ID:	361726
PubChem CID:	127304541
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-106.95
Dipole, Da:	7.71
IP(EA), eV:	-8.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(2-methylindol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)C3=C(C4=C(N3)CC(CC4=O)(C)C)C)C

DOS

IR

Vibrations