Geometry & MOs

Info

ID:	331962
PubChem CID:	127250248
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	447.146203
ΔH_f, kcal/mol:	-68.7
Dipole, Da:	6.23
IP(EA), eV:	-8.21(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations