Geometry & MOs

Info

ID:	344044
PubChem CID:	127267220
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	332.148455
ΔH_f, kcal/mol:	-29.21
Dipole, Da:	2.7
IP(EA), eV:	-9.24(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)-3-pyrimidin-4-ylurea

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)NCC#CCO

DOS

IR

Vibrations