Geometry & MOs

Info

ID:	191222
PubChem CID:	78119790
Reduced:	O2N8C25H29 (1)
Stoich.:	A2B8C25D29 (1)
Weight, g/mol:	380.171162
ΔH_f, kcal/mol:	65.87
Dipole, Da:	3.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.856679
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)oxy-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CC#CCN1C2C(=[N+](C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=N3)C)C)N=C1CN5CCNCC5

DOS

IR

Vibrations