Geometry & MOs

Info

ID:	363224
PubChem CID:	127310364
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	358.211724
ΔH_f, kcal/mol:	-92.88
Dipole, Da:	6.76
IP(EA), eV:	-8.89(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylpyrazol-1-yl)methyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)CC(CC2NC(=O)N3CCOC(C3)CN4C=C(C=N4)C)(C)C

DOS

IR

Vibrations