Geometry & MOs

Info

ID:	291711
PubChem CID:	113460244
Reduced:	ClN2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	31.8
Dipole, Da:	1.67
IP(EA), eV:	-8.78(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)-2-methoxyphenyl]-3-tert-butylurea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC=CC=C2)C3CCCCC3)Cl

DOS

IR

Vibrations