Geometry & MOs

Info

ID:	422343
PubChem CID:	135117669
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-40.94
Dipole, Da:	4.43
IP(EA), eV:	-9.17(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)CCCC(=O)N(CCO)CC3=CN=C(N3)C

DOS

IR

Vibrations