Geometry & MOs

Info

ID:	363344
PubChem CID:	127310873
Reduced:	OSN6C18H22 (1)
Stoich.:	ABC6D18E22 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	54.26
Dipole, Da:	5.06
IP(EA), eV:	-8.91(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=CN=C(S3)C4=CN(N=C4)C

DOS

IR

Vibrations