Geometry & MOs

Info

ID:	331800
PubChem CID:	127250084
Reduced:	ClO2N5H22C24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	447.146203
ΔH_f, kcal/mol:	32.71
Dipole, Da:	5.45
IP(EA), eV:	-9.18(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN2C(=C(C=N2)C(=O)N3CCOC(C3)C4=CC=CC(=N4)CC5=CC=CC=C5Cl)N=C1

DOS

IR

Vibrations