Geometry & MOs

Info

ID:	78390
PubChem CID:	49689412
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-42.08
Dipole, Da:	6.2
IP(EA), eV:	-8.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)NCC2CCN(CC2)C(=O)C3=NC=CN=C3)C

DOS

IR

Vibrations