Geometry & MOs

Info

ID:	136158
PubChem CID:	51988422
Reduced:	NO2C22H30 (1)
Stoich.:	AB2C22D30 (1)
Weight, g/mol:	368.118409
ΔH_f, kcal/mol:	-39.81
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.059081
Charge, e:	1

Chem-info

IUPAC name:

butyl-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=C(C=CC=C2OC)C[NH2+]C3CCCCC3

DOS

IR

Vibrations