Geometry & MOs

Info

ID:	147430
PubChem CID:	53787086
Reduced:	N3H49C62 (1)
Stoich.:	A3B49C62 (1)
Weight, g/mol:	254.093439
ΔH_f, kcal/mol:	245.81
Dipole, Da:	3.87
IP(EA), eV:	-7.81(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbamimidoyl-1-(2-chloro-4,6-dimethylphenyl)-3-methylurea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC=CC=C1

DOS

IR

Vibrations