Geometry & MOs

Info

ID:	361737
PubChem CID:	127304553
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	382.180504
ΔH_f, kcal/mol:	-36.82
Dipole, Da:	8.53
IP(EA), eV:	-8.62(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-(7-fluoro-2-methylquinolin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)C3=CC4=C(C=C3)NC(=C4C)C)C

DOS

IR

Vibrations