Geometry & MOs

Info

ID:	241090
PubChem CID:	93621772
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	298.154209
ΔH_f, kcal/mol:	-90.76
Dipole, Da:	5.31
IP(EA), eV:	-8.8(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyridin-3-yl-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=C(C=C1)NC(=O)CC2)NC(=O)N(C)CC3=CC=CO3

DOS

IR

Vibrations