Geometry & MOs

Info

ID:	363270
PubChem CID:	127310411
Reduced:	O2N6C17H30 (1)
Stoich.:	A2B6C17D30 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-47.18
Dipole, Da:	6.32
IP(EA), eV:	-8.65(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)NCC3CN(CCN3C)C

DOS

IR

Vibrations