Geometry & MOs

Info

ID:	363137
PubChem CID:	127310170
Reduced:	O2N3C9H10 (2)
Stoich.:	A2B3C9D10 (2)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-95.04
Dipole, Da:	3.82
IP(EA), eV:	-9.12(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-quinolin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=CC4=C(N=C3)N(C(=O)NC4=O)C

DOS

IR

Vibrations