Geometry & MOs

Info

ID:	137290
PubChem CID:	52184366
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	-35.13
Dipole, Da:	7.18
IP(EA), eV:	-8.91(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3-cyanopyridin-2-yl)amino]ethyl]-3-[(2S)-3-methylbutan-2-yl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)O[C@H](C)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations