Geometry & MOs

Info

ID:	145473
PubChem CID:	53530546
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-7.33
Dipole, Da:	2.79
IP(EA), eV:	-8.87(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methylpyrimidin-4-yl)methyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)CN(C3CC3)C(=O)C4=NOC(=C4)C

DOS

IR

Vibrations