Geometry & MOs

Info

ID:	182106
PubChem CID:	76842963
Reduced:	N5O7C27H43 (1)
Stoich.:	A5B7C27D43 (1)
Weight, g/mol:	426.213027
ΔH_f, kcal/mol:	-182.14
Dipole, Da:	4.32
IP(EA), eV:	-9.18(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-methyl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N(C)C1CCN(CC1)C(=O)C2=CC=C(O2)[N+](=O)[O-])NCC(CC3CCCC3)CN(C=O)O

DOS

IR

Vibrations