Geometry & MOs

Info

ID:	363120
PubChem CID:	127310153
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-85.74
Dipole, Da:	7.74
IP(EA), eV:	-8.72(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-(2-propan-2-ylquinolin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)CC3CCCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations