Geometry & MOs

Info

ID:	363375
PubChem CID:	127310912
Reduced:	SO2N7C17H21 (1)
Stoich.:	AB2C7D17E21 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	54.12
Dipole, Da:	6.0
IP(EA), eV:	-9.15(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3=CN=C(S3)C4=CN(N=C4)C

DOS

IR

Vibrations